3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C17H15N5S — CID 126471339

IUPAC3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESNc1cccc(-c2cnc3ccc(NCc4cccs4)nn23)c1
InChIInChI=1S/C17H15N5S/c18-13-4-1-3-12(9-13)15-11-20-17-7-6-16(21-22(15)17)19-10-14-5-2-8-23-14/h1-9,11H,10,18H2,(H,19,21)
InChIKeyAGUXDTOZKYTVCL-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.65
Rot. Bonds4

About 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126471339) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126471339
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESNc1cccc(-c2cnc3ccc(NCc4cccs4)nn23)c1
InChIInChI=1S/C17H15N5S/c18-13-4-1-3-12(9-13)15-11-20-17-7-6-16(21-22(15)17)19-10-14-5-2-8-23-14/h1-9,11H,10,18H2,(H,19,21)
InChIKeyAGUXDTOZKYTVCL-UHFFFAOYSA-N
XLogP3.65
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 126471339) is 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Nc1cccc(-c2cnc3ccc(NCc4cccs4)nn23)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AGUXDTOZKYTVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c18-13-4-1-3-12(9-13)15-11-20-17-7-6-16(21-22(15)17)19-10-14-5-2-8-23-14/h1-9,11H,10,18H2,(H,19,21).
What are the key properties of 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 321.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126471339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).